| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:04:25 UTC |
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| Update Date | 2025-03-24 22:29:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01213669 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | C=C1CC(C(C)=O)OC1=O |
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| InChI Key | CVCYWYPPKZKXPF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | enoate estersgamma butyrolactoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | enoate esteralpha-acyloxy ketonetetrahydrofurancarboxylic acid derivativegamma butyrolactoneketonelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compound |
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